Molecule FYI-1007640

A

Molecule Summary:

ID: FYI-1007640
Names:
InChIKey: QRBSTAXMDRGHJV-UHFFFAOYSA-N
SMILES: COC(=O)C(C)CC(C)(CCC(C)(CC(C)C(=O)OC)C(=O)OC)C(=O)OC

Received at FYIcenter.com on: 2024-03-07

Molecule ID: FYI-1007640 Edit

Molecule Structure InChIKey: QRBSTAXMDRGHJV-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(C)CC(C)(CCC(C)(CC(C)C(=O)OC)C(=O)OC)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007640
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
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 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007640-3D
FYIcenter.com

 62 61  0  0  1  0  0  0  0  0999 V2000
    9.3459   -3.7561   -5.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3758   -3.0243   -4.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7466   -1.8175   -4.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1784   -1.3639   -5.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8799   -1.1011   -3.3326 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0573   -0.1396   -3.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851   -0.3653   -2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680   -1.2499   -2.4520 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.4171   -3.1816    1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468   -2.9610    1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0578   -2.1384    0.5036 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6231   -1.1291    1.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2012   -3.0737    0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6932   -1.2290    2.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
$$$$

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2024-03-17, 170👍, 0💬